Ether

Ether

SCHEMBL10413640

CCOCC.O=C(O)c1ccc(-c2cccc(C(=O)O)c2C(=O)O)cc1C(=O)O

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.44
MCL1 Q07820 4/20 0.40
LMNA P02545 1/20 0.40
CDC25B P30305 2/20 0.40
CDC25A P30304 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ACMSD Q8TDX5 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.37
FOLH1 Q04609 2/20 0.37
PTPRC P08575 1/20 0.37
PTPRF P10586 1/20 0.37
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPA Q15257 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL87895 0.88 CDC25B (0.49) PTPN11MCL1CDC25BCDC25AHSD17B10
SCHEMBL9240427 0.87 CDC25B (0.47) MCL1CDC25BCDC25AHSD17B10ACMSD
Water SCHEMBL9437059 0.87 CDC25B (0.47) PTPN11MCL1CDC25BCDC25AHSD17B10
Pyromellitic Acid SCHEMBL15228126 0.87 CDC25B (0.47) PTPN11MCL1CDC25BCDC25AHSD17B10
Water SCHEMBL6403598 0.87 CDC25B (0.47) PTPN11MCL1CDC25BCDC25AHSD17B10
SCHEMBL28679459 0.87 CDC25B (0.47) PTPN11MCL1CDC25BCDC25AHSD17B10
SCHEMBL29575085 0.87 CDC25B (0.47) PTPN11MCL1CDC25BCDC25AHSD17B10
SCHEMBL339060 0.85 PTPN1 (0.48) PTPN11MCL1LMNAHSD17B10KDM4E
Ether SCHEMBL1900760 0.82 CFD (0.49) PTPN11MCL1ACMSDKDM4EPOLB
SCHEMBL10413641 0.81 MCL1 (0.41) PTPN11MCL1CDC25BCDC25AHSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4965339-A CYCLIZATION OF A POLYAMIC ACID HAVING PERFLUOROALKYL GROUPS IN A SOLVENT IN THE PRSENCE OF A LOWER FATTY MONCARBOXYLIC ACID ANHYDRIDE AND A TERTIARY AMINE; COATINGS; FILMS CENTRAL GLASS COMPANY, LIMITED (JP) 1990-10-23 US disclosed